(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane

C24H32FN7O — CID 167611725

IUPAC(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
SMILESC.Cc1nc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)ccc1F
InChIInChI=1S/C23H28FN7O.CH4/c1-13(2)22-23(32)29-21-15(4)28-20(8-19(21)30(22)5)25-9-16-10-26-31(11-16)12-17-6-7-18(24)14(3)27-17;/h6-8,10-11,13,22H,9,12H2,1-5H3,(H,25,28)(H,29,32);1H4/t22-;/m0./s1
InChIKeyLDMOXNHYPXWNNU-FTBISJDPSA-N
MW453.57 g/mol
LogP4.14
Rot. Bonds6

About (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane

(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane (PubChem CID 167611725) has the molecular formula C24H32FN7O and a molecular weight of 453.57 g/mol. Its IUPAC name is (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane.

Molecular Properties

Compound Name(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
PubChem CID167611725
Molecular FormulaC24H32FN7O
Molecular Weight453.57 g/mol
Exact Mass453.27
IUPAC Name(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
SMILESC.Cc1nc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)ccc1F
InChIInChI=1S/C23H28FN7O.CH4/c1-13(2)22-23(32)29-21-15(4)28-20(8-19(21)30(22)5)25-9-16-10-26-31(11-16)12-17-6-7-18(24)14(3)27-17;/h6-8,10-11,13,22H,9,12H2,1-5H3,(H,25,28)(H,29,32);1H4/t22-;/m0./s1
InChIKeyLDMOXNHYPXWNNU-FTBISJDPSA-N
XLogP4.14
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
The IUPAC name of (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane (CID 167611725) is (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane.
What is the SMILES notation for (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
The canonical SMILES for (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane is C.Cc1nc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)ccc1F.
What is the InChIKey of (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
The InChIKey is LDMOXNHYPXWNNU-FTBISJDPSA-N. The full InChI is InChI=1S/C23H28FN7O.CH4/c1-13(2)22-23(32)29-21-15(4)28-20(8-19(21)30(22)5)25-9-16-10-26-31(11-16)12-17-6-7-18(24)14(3)27-17;/h6-8,10-11,13,22H,9,12H2,1-5H3,(H,25,28)(H,29,32);1H4/t22-;/m0./s1.
What are the key properties of (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane has a molecular weight of 453.57 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane is sourced from PubChem (CID 167611725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).